SCHEMBL30100563

SCHEMBL30100563

NC(=O)c1ncccc1-c1cc(C(=O)O)cc(-c2cccnc2C(N)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.44
KDM4E B2RXH2 5/20 0.43
KDM4C Q9H3R0 3/20 0.43
KDM6B O15054 2/20 0.43
KDM4A O75164 2/20 0.43
KDM5C P41229 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
KDM3A Q9Y4C1 2/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4560363 0.78 MKNK1 (0.50) EIF4EKDM4EMAPTALDH1A1CYP3A4
SCHEMBL17028059 0.77 MKNK1 (0.50) EIF4EKDM4EMAPTALDH1A1CYP3A4
SCHEMBL9384191 0.76 GRM5 (0.48) KDM4EKDM4CKDM6BKDM4AKDM5C
SCHEMBL3100405 0.75 NPC1 (0.50) EIF4EKDM4EL3MBTL1MKNK1MKNK2
SCHEMBL231896 0.74 MKNK1 (0.56) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL29357872 0.73 TGFBR1 (0.50) EIF4EMAPTMKNK1MKNK2PARP1
SCHEMBL946785 0.72 F7 (0.47) EIF4EALDH1A1TSHRMKNK1MKNK2
SCHEMBL28226910 0.71 MKNK1 (0.76) MKNK1MKNK2
SCHEMBL31145789 0.71 MAP3K8 (0.49) MKNK1MKNK2DHODHPARP1
SCHEMBL15825758 0.71 IDO1 (0.42) EIF4EKDM4EKDM4AKDM5CMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115430405-A Modified zirconium-based MOF adsorbent and preparation method and application thereof 昆明理工大学 2022-12-06 CN disclosed